SCHEMBL782010

SCHEMBL782010

NC1(NC(=O)O)CCNCC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.41
KMT2A Q03164 1/20 0.41
DPP9 Q86TI2 1/20 0.36
DPP7 Q9UHL4 1/20 0.36
OPRM1 P35372 2/20 0.34
CYP1A2 P05177 3/20 0.33
CYP2D6 P10635 1/20 0.33
HDAC1 Q13547 1/20 0.33
SIGMAR1 Q99720 1/20 0.32
DPP4 P27487 1/20 0.31
GABRD O14764 2/20 0.31
GABRA1 P14867 2/20 0.31
GABRB1 P18505 2/20 0.31
GABRA5 P31644 2/20 0.31
GABRA3 P34903 2/20 0.31
GABRA2 P47869 2/20 0.31
GABRB2 P47870 2/20 0.31
GABRA4 P48169 2/20 0.31
NPFFR1 Q9GZQ6 1/20 0.31
NPFFR2 Q9Y5X5 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL15232657 0.78
SCHEMBL477423 0.76 HDAC4 (0.38) CYP1A2TSHR
Hydrochloric Acid SCHEMBL4731891 0.74 HDAC4 (0.37) CYP1A2TSHR
SCHEMBL23799317 0.74 KDM4E (0.62) KDM4EKMT2A
SCHEMBL29384604 0.73 KDM4E (0.50) KDM4EKMT2AOPRM1CYP1A2CYP2D6
SCHEMBL1710564 0.73 KDM4E (0.41) KDM4EKMT2AOPRM1CYP1A2CYP2D6
SCHEMBL6837847 0.72 HDAC8 (0.39) KDM4EKMT2ACYP2D6HDAC1TSHR
SCHEMBL21856103 0.72 OPRM1 (0.38) KDM4EKMT2AOPRM1CYP1A2NPFFR1
Hydrochloric Acid SCHEMBL17748973 0.71 KDM4E (0.39) KDM4EKMT2AOPRM1CYP1A2GABRD
SCHEMBL4725793 0.70 KDM4E (0.34) KDM4EKMT2AOPRM1NPFFR1NPFFR2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 37 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7208604-B2 Methods for the synthesis of alfentanil, sufentanil, and remifentanil MALLINCKRODT INC. (US) 2007-04-24 US claimed
EP-1246801-B1 METHODS FOR THE SYNTHESES OF ALFENTANIL, SUFENTANIL AND REMIFENTANIL MALLINCKRODT INC (US) 2006-09-20 EP claimed
US-7074935-B2 Methods for the syntheses of alfentanil, sufentanil and remifentanil MALLINCKRODT INC. (US) 2006-07-11 US claimed
US-20060149071-A1 New methods for the synthesis of alfentanil, sufentanil, and remifentanil MALLINCKRODT, INC. 2006-07-06 US claimed
US-20040138461-A1 Methods for the syntheses of alfentanil sufentanil and remifentanil MALLINCKRODT, INC. 2004-07-15 US claimed
EP-1246801-A2 METHODS FOR THE SYNTHESES OF ALFENTANIL, SUFENTANIL AND REMIFENTANIL MALLINCKRODT INC. (US) 2002-10-09 EP claimed
WO-2001040184-B1 METHODS FOR THE SYNTHESES OF ALFENTANIL, SUFENTANIL AND REMIFENTANIL MALLINCKRODT INC (US) 2002-01-31 WO claimed
WO-2001040184-A2 METHODS FOR THE SYNTHESES OF ALFENTANIL, SUFENTANIL AND REMIFENTANIL MALLINCKRODT INC. (US) 2001-06-07 WO claimed
EP-0721452-A1 PROCESS FOR THE PREPARATION OF SUFENTANIL DERIVATIVES BY CARBENE ADDITION/AMINOLYSIS OF 4-PIPERIDONE Mallinckrodt Chemical, Inc. (US) 1996-07-17 EP claimed
US-5489689-A CONDENSING A PIPERIDONE WITH A PRIMARY AMINE TO FORM A 4-AMINO-4-CARBOXYAMINOPIPERIDINE; HYDROLYSIS; CONDENSATION WITH A MESYLATE CONTAINING A PHENYL, THIENYL OR 4-ETHYL-4,5-DIHYDRO-5-OXO-1H-TETRAZPINE MALLINCKRODT CHEMICAL, INC. (US) 1996-02-06 US claimed
WO-1995009152-A1 PROCESS FOR THE PREPARATION OF SUFENTANIL DERIVATIVES BY CARBENE ADDITION/AMINOLYSIS OF 4-PIPERIDONE MALLINCKRODT CHEMICAL, INC. (US) 1995-04-06 WO claimed
EP-2616464-B1 IMPROVED PROCESS FOR THE PREPARATION OF A PRECURSOR OF SUFENTANIL BASE MALLINCKRODT LLC (US) 2018-01-03 EP disclosed
US-8946433-B2 Process for the preparation of sufentanil base and related compounds MALLINCKRODT LLC (US) 2015-02-03 US disclosed
EP-2455377-B1 Synthesis of fentanyl analogs HAMELN RDS GMBH (DE) 2014-07-09 EP disclosed
EP-2616464-A2 IMPROVED PROCESS FOR THE PREPARATION OF SUFENTANIL BASE AND RELATED COMPOUNDS Mallinckrodt LLC (US) 2013-07-24 EP disclosed
WO-2001040184-A2 METHODS FOR THE SYNTHESES OF ALFENTANIL, SUFENTANIL AND REMIFENTANIL MALLINCKRODT INC. (US) 2001-06-07 WO disclosed
EP-0721452-A1 PROCESS FOR THE PREPARATION OF SUFENTANIL DERIVATIVES BY CARBENE ADDITION/AMINOLYSIS OF 4-PIPERIDONE Mallinckrodt Chemical, Inc. (US) 1996-07-17 EP disclosed
US-5489689-A CONDENSING A PIPERIDONE WITH A PRIMARY AMINE TO FORM A 4-AMINO-4-CARBOXYAMINOPIPERIDINE; HYDROLYSIS; CONDENSATION WITH A MESYLATE CONTAINING A PHENYL, THIENYL OR 4-ETHYL-4,5-DIHYDRO-5-OXO-1H-TETRAZPINE MALLINCKRODT CHEMICAL, INC. (US) 1996-02-06 US disclosed
US-5489689-A CONDENSING A PIPERIDONE WITH A PRIMARY AMINE TO FORM A 4-AMINO-4-CARBOXYAMINOPIPERIDINE; HYDROLYSIS; CONDENSATION WITH A MESYLATE CONTAINING A PHENYL, THIENYL OR 4-ETHYL-4,5-DIHYDRO-5-OXO-1H-TETRAZPINE MALLINCKRODT CHEMICAL, INC. (US) 1996-02-06 US disclosed
WO-1995009152-A1 PROCESS FOR THE PREPARATION OF SUFENTANIL DERIVATIVES BY CARBENE ADDITION/AMINOLYSIS OF 4-PIPERIDONE MALLINCKRODT CHEMICAL, INC. (US) 1995-04-06 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20060149071-A1 New methods for the synthesis of alfentanil, sufentanil, and remifentanil OPRK1, OPRM1, OPRL1 KDM4E 1420/4885KMT2A 577/4885DPP9 3598/4885
US-20040138461-A1 Methods for the syntheses of alfentanil sufentanil and remifentanil HNMT, OPRM1, ALKBH3 KDM4E 153/4885KMT2A 91/4885DPP9 3634/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.